SCHEMBL6097637

SCHEMBL6097637

[CH2]Cc1ccc(-n2nc(C)c(-c3cc(F)cc(F)c3)c2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 1/20 0.45
AR P10275 5/20 0.44
LMNA P02545 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6098463 0.88 CYP1A2 (0.58) CYP1A2CYP2D6ARRAB9ASMN1; SMN2
SCHEMBL6096730 0.88 CYP1A2 (0.76) CYP1A2CYP2D6ARLMNARAB9A
SCHEMBL6095453 0.85 CYP1A2 (0.59) CYP1A2CYP2D6ARLMNARAB9A
SCHEMBL6095059 0.84 CYP1A2 (0.56) CYP1A2CYP2D6ARLMNARAB9A
SCHEMBL6097347 0.84 CYP1A2 (0.63) CYP1A2CYP2D6ARLMNARAB9A
SCHEMBL6097885 0.84 CYP1A2 (0.56) CYP1A2CYP2D6ARLMNARAB9A
SCHEMBL6097575 0.82 CYP1A2 (0.56) CYP1A2LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL6097998 0.80 CYP1A2 (0.51) CYP1A2CYP2D6RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6096261 0.80 CYP1A2 (0.56) CYP1A2CYP2D6ARLMNARAB9A
SCHEMBL6098683 0.80 CYP1A2 (0.56) CYP1A2CYP2D6ARLMNARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR CYP1A2 670/4885CYP2D6 801/4885AR 110/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.